Hello,
I am trying to backmap a CG structure to an all-atom representation (Amber03).
When I run initram.sh, I get the following error:
ERROR 1 [file 1-EM.mdp]:
Energy group exclusions are currently not supported
I think group cutoff is deprecated in the latest GROMACS, so I am not sure what to do. Any help would be greatly appreciated
Thank you! :-)
Hello,
I am trying to backmap a CG structure to an all-atom representation (Amber03).
When I run initram.sh, I get the following error:
I think group cutoff is deprecated in the latest GROMACS, so I am not sure what to do. Any help would be greatly appreciated
Thank you! :-)